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87298-54-2 | Isoquinolinium, 2-butyl-1,2,3,4-tetrahydro-2-methyl-, chloride
CAS No: 87298-54-2 Catalog No: AG004P0W MDL No:
Product Description
Catalog Number:
AG004P0W
Chemical Name:
Isoquinolinium, 2-butyl-1,2,3,4-tetrahydro-2-methyl-, chloride
CAS Number:
87298-54-2
Molecular Formula:
C14H22ClN
Molecular Weight:
239.7842
IUPAC Name:
2-butyl-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium;chloride
InChI:
InChI=1S/C14H22N.ClH/c1-3-4-10-15(2)11-9-13-7-5-6-8-14(13)12-15;/h5-8H,3-4,9-12H2,1-2H3;1H/q+1;/p-1
InChI Key:
UHWCOWGQJGTEDK-UHFFFAOYSA-M
SMILES:
CCCC[N+]1(C)CCc2c(C1)cccc2.[Cl-]
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.144g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.787g/mol
Monoisotopic Mass:
239.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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